2,2,2-Trifluoroethyl perfluorobutanimidate
TL;DR: 2,2,2-Trifluoroethyl perfluorobutanimidate (CAS 4078-29-9) is a chemical compound with molecular formula C6H3F10NO and molecular weight 295.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2,2,3,3,4,4,4-heptafluorobutanimidate
Also Known As: NCIOpen2_004899, 2,2,2-trifluoroethyl perfluorobutanimidate, 2,2,2-trifluoroethyl 2,2,3,3,4,4,4-heptafluorobutanimidate, 2,2,2-trifluoroethyl(1z)-2,2,3,3,4,4,4-heptafluorobutanimidoate, RefChem:242562
| Molecular Formula | C6H3F10NO |
|---|---|
| Molecular Weight | 295.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0055 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 4078-29-9 |
|---|---|
| SMILES | C(C(F)(F)F)OC(=N)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MFBCEXYUNWQKLU-UHFFFAOYSA-N |
Product Overview
2,2,2-Trifluoroethyl perfluorobutanimidate (CAS 4078-29-9), with molecular formula C6H3F10NO and molecular weight 295.01 g/mol. IUPAC: 2,2,2-trifluoroethyl 2,2,3,3,4,4,4-heptafluorobutanimidate.
Chemical Property Profile of 2,2,2-Trifluoroethyl perfluorobutanimidate
Property Insights of 2,2,2-Trifluoroethyl perfluorobutanimidate
The XLogP value of 3.8 indicates that 2,2,2-Trifluoroethyl perfluorobutanimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, 2,2,2-Trifluoroethyl perfluorobutanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl perfluorobutanimidate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoroethyl perfluorobutanimidate?
The CAS number of 2,2,2-Trifluoroethyl perfluorobutanimidate is 4078-29-9.
What is the molecular formula of 2,2,2-Trifluoroethyl perfluorobutanimidate?
The molecular formula of 2,2,2-Trifluoroethyl perfluorobutanimidate is C6H3F10NO.
What is the molecular weight of 2,2,2-Trifluoroethyl perfluorobutanimidate?
The molecular weight of 2,2,2-Trifluoroethyl perfluorobutanimidate is 295.01 g/mol.
Where can I buy 2,2,2-Trifluoroethyl perfluorobutanimidate?
You can request a quote for 2,2,2-Trifluoroethyl perfluorobutanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl perfluorobutanimidate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl perfluorobutanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.